SCHEMBL3285407

SCHEMBL3285407

CCCCCCCn1c(=O)c(NCCCOc2ccc(OC(C)(C)C(=O)OCC)cc2)nn(C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.41
PPARG P37231 2/20 0.41
TSHR P16473 2/20 0.40
ABCB11 O95342 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR2A P28223 1/20 0.40
PMP22 Q01453 1/20 0.40
FBP1 P09467 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TNF P01375 1/20 0.37
SMPD1 P17405 1/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
P2RX3 P56373 1/20 0.35
PDE4B Q07343 2/20 0.35
ADORA2A P29274 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3286062 0.97 PPARA (0.40) PPARAPPARGTSHRABCB11CYP1A2
SCHEMBL3284511 0.91 PPARA (0.39) PPARAPPARGTSHRABCB11CYP1A2
SCHEMBL3841090 0.90 PPARG (0.47) PPARAPPARGSMPD1
SCHEMBL3284582 0.90 PPARA (0.39) PPARAPPARGTSHRABCB11CYP1A2
SCHEMBL3285481 0.90 PPARA (0.45) PPARAPPARGTSHRABCB11CYP1A2
SCHEMBL3286019 0.88 PPARA (0.38) PPARAPPARGTSHRABCB11CYP1A2
SCHEMBL3842665 0.88 PPARG (0.46) PPARAPPARGTSHR
SCHEMBL3286654 0.87 MAPK14 (0.38) TSHRNPSR1TNFSMPD1MAPK1
SCHEMBL3292828 0.87 PPARA (0.40) PPARAPPARGTSHRABCB11CYP1A2
SCHEMBL3284169 0.85 PPARA (0.40) PPARAPPARGTSHRABCB11CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713971-B2 1,2,4-triazine derivatives, preparation and use thereof in human therapy PIERRE FABRE MEDICAMENT (FR) 2010-05-11 US claimed
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP claimed
US-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy PIERRE FABRE MEDICAMENT (FR) 2008-07-10 US claimed
US-7713971-B2 1,2,4-triazine derivatives, preparation and use thereof in human therapy PIERRE FABRE MEDICAMENT (FR) 2010-05-11 US disclosed
US-7713971-B2 1,2,4-triazine derivatives, preparation and use thereof in human therapy PIERRE FABRE MEDICAMENT (FR) 2010-05-11 US disclosed
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP disclosed
US-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy PIERRE FABRE MEDICAMENT (FR) 2008-07-10 US disclosed
US-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy PIERRE FABRE MEDICAMENT (FR) 2008-07-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy CBR3, NOX3, RTN3 PPARA 3384/4885PPARG 2530/4885TSHR 133/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.